N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide

C19H18ClF3N2O4S — CID 55383063

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O4S/c1-3-30(28,29)16-7-5-4-6-13(16)18(27)25(2)11-17(26)24-12-8-9-15(20)14(10-12)19(21,22)23/h4-10H,3,11H2,1-2H3,(H,24,26)
InChIKeyYBDQASVACGXTTI-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.86
Rot. Bonds6

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide (PubChem CID 55383063) has the molecular formula C19H18ClF3N2O4S and a molecular weight of 462.88 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
PubChem CID55383063
Molecular FormulaC19H18ClF3N2O4S
Molecular Weight462.88 g/mol
Exact Mass462.06
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O4S/c1-3-30(28,29)16-7-5-4-6-13(16)18(27)25(2)11-17(26)24-12-8-9-15(20)14(10-12)19(21,22)23/h4-10H,3,11H2,1-2H3,(H,24,26)
InChIKeyYBDQASVACGXTTI-UHFFFAOYSA-N
XLogP3.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 16546518
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
CID 33086234
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 55554652
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 9144063
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 16563136
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 7936674
3-bromo-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 55706960
2-amino-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N,2-dimethylpentanamide
CID 119683177
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26620100
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide (CID 55383063) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide?
The InChIKey is YBDQASVACGXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O4S/c1-3-30(28,29)16-7-5-4-6-13(16)18(27)25(2)11-17(26)24-12-8-9-15(20)14(10-12)19(21,22)23/h4-10H,3,11H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide has a molecular weight of 462.88 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide is sourced from PubChem (CID 55383063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).